smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([N-]c1c(Br)cc(Br)c([N+](=O)[O-])c1Br)c1ccco1 ZINC000003089224 194224795 /nfs/dbraw/zinc/22/47/95/194224795.db2.gz AZCMOPRJVQZYTJ-UHFFFAOYSA-N -1 3 468.883 4.728 10 5 JJBEHM O=C([N-]c1nnc(CCSc2ccc(Br)cc2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000020457522 527534427 /nfs/dbraw/zinc/53/44/27/527534427.db2.gz AIBCIBYHIHCAHC-UHFFFAOYSA-N -1 3 465.354 4.796 10 5 JJBEHM